Information card for entry 4111980

Structure parameters

• Formula: C36 H40
• Calculated formula: C36 H40
• SMILES: C1([C@H](CCc2ccc3cc(ccc3c12)C)C(C)C)=C1[C@H](CCc2ccc3cc(ccc3c12)C)C(C)C.C1([C@@H](CCc2ccc3cc(ccc3c12)C)C(C)C)=C1[C@@H](CCc2ccc3cc(ccc3c12)C)C(C)C
• Title of publication: Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes
• Authors of publication: Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 14208 - 14222
• a: 9.523 ± 0.004 Å
• b: 12.352 ± 0.005 Å
• c: 13.559 ± 0.005 Å
• α: 63.298 ± 0.006°
• β: 77.596 ± 0.007°
• γ: 76.146 ± 0.006°
• Cell volume: 1372.8 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No